Molecule ID: mol34972

SMILES: CC1c2cc(c(O)c(CN(C)C)c2O)C(C)c2cc(c(O)c(CN(C)C)c2O)C(C)c2cc(c(O)c(CN(C)C)c2O)C(C)c2cc1c(O)c(CN(C)C)c2O

InChI: InChI=1S/C44H60N4O8/c1-21-25-13-27(39(51)33(37(25)49)17-45(5)6)22(2)29-15-31(43(55)35(41(29)53)19-47(9)10)24(4)32-16-30(42(54)36(44(32)56)20-48(11)12)23(3)28-14-26(21)38(50)34(40(28)52)18-46(7)8/h13-16,21-24,49-56H,17-20H2,1-12H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.90 QSARToolbox -5 » -6
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization